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#3;BENTHAMININ-2;4,11B-DIMETHYL-7-METHYLENE-1,2,3,4,4A,5,6,6A,7,11,11A,11B-DODECAHYDRO-10-OXA-CYCLOPENTAL-[B]-PHENANTHRENE-4-CARBOXYLIC-ACID-METHYESTER

View entire compound with spectra: 1 NMR

#3;BENTHAMININ-2;4,11B-DIMETHYL-7-METHYLENE-1,2,3,4,4A,5,6,6A,7,11,11A,11B-DODECAHYDRO-10-OXA-CYCLOPENTAL-[B]-PHENANTHRENE-4-CARBOXYLIC-ACID-METHYESTER
SpectraBase Compound ID 2qAn2v8RdrI
InChI InChI=1S/C21H28O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11,14,16,18H,1,5-7,9-10,12H2,2-4H3/t14-,16-,18+,20+,21-/m0/s1
InChIKey BITNDSYDSKLXKB-ZBWTVIFZSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ddDAJ6DPsz
Name #3;BENTHAMININ-2;4,11B-DIMETHYL-7-METHYLENE-1,2,3,4,4A,5,6,6A,7,11,11A,11B-DODECAHYDRO-10-OXA-CYCLOPENTAL-[B]-PHENANTHRENE-4-CARBOXYLIC-ACID-METHYESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11,14,16,18H,1,5-7,9-10,12H2,2-4H3/t14-,16-,18+,20+,21-/m0/s1
InChIKey BITNDSYDSKLXKB-ZBWTVIFZSA-N
Literature Reference Author R.A.DICKSON,P.J.HOUGHTON,P.J.HYLANDS
Literature Reference Citation PHYTOCHEM.,68,1436(2007)
Literature Reference DOI 10.1016/j.phytochem.2007.03.008
Molecular Weight 328.452 g/mol
Sample ID 62355
Solvent CDCl3